HRID150452

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

HCID2775683

2-methyl-6-(trifluoromethyl)nicotinic acid

C8H6F3NO2

HCID5200412

methyl 5-amino-2-chlorobenzoate

C8H8ClNO2

PRODUCTS

生成物

结构：COC(=O)c1cc(NC(=O)c2ccc(C(F)(F)F)nc2C)ccc1Cl

HCID32307931

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8acbd098fa9d49d8a63d6f78ba1882a0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:16][N:17]([CH3:18])[CH2:19][CH2:20][CH2:21][N:22]=[C:23]=[N:24][CH2:25][CH3:26].[CH3:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][c:9]([C:11]([F:12])([F:13])[F:14])[n:10]1.[ClH:15].[NH2:37][c:38]1[cH:39][cH:40][c:41]([Cl:48])[c:42]([C:43](=[O:44])[O:45][CH3:46])[cH:47]1.[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[OH2:54].[OH:27][n:28]1[c:29]2[n:30][cH:31][cH:32][cH:33][c:34]2[n:35][n:36]1>>[CH3:1][c:2]1[c:3]([C:4](=[O:6])[NH:37][c:38]2[cH:39][cH:40][c:41]([Cl:48])[c:42]([C:43](=[O:44])[O:45][CH3:46])[cH:47]2)[cH:7][cH:8][c:9]([C:11]([F:12])([F:13])[F:14])[n:10]1